(E)-3-[5-chloranyl-4,7-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[5-chloranyl-4,7-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-prop-2-enoic acid Openeye Name: (E)-3-[5-chloro-4,7-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]-2-(4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[5-chloro-4,7-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-yl-2-propenoic acid IUPAC Name: (E)-3-[5-chloro-4,7-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-2-pyridin-4-ylprop-2-enoic acid Traditional Name: (E)-3-[5-chloro-4,7-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]-2-(4-pyridyl)acrylic acid Formula: C25H20ClNO6S MolecularWeight: 497.9474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=C2C(=C(C=C3OC)Cl)OC)C=C(C4=CC=NC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=C2C(=C(C=C3OC)Cl)OC)/C=C(\C4=CC=NC=C4)/C(=O)O

InChI

InChI=1S/C25H20ClNO6S/c1-30-15-4-6-16(7-5-15)33-23-20(12-17(25(28)29)14-8-10-27-11-9-14)34-24-19(31-2)13-18(26)22(32-3)21(23)24/h4-13H,1-3H3,(H,28,29)/b17-12+